N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide

C8H5BrF3NOS — CID 146509175

IUPACN-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide
SMILESO=CNc1ccc(SC(F)(F)F)cc1Br
InChIInChI=1S/C8H5BrF3NOS/c9-6-3-5(15-8(10,11)12)1-2-7(6)13-4-14/h1-4H,(H,13,14)
InChIKeyAFMXQXXJTZJMOO-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.63
Rot. Bonds3

About N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide

N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide (PubChem CID 146509175) has the molecular formula C8H5BrF3NOS and a molecular weight of 300.10 g/mol. Its IUPAC name is N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide
PubChem CID146509175
Molecular FormulaC8H5BrF3NOS
Molecular Weight300.10 g/mol
Exact Mass298.92
IUPAC NameN-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide
SMILESO=CNc1ccc(SC(F)(F)F)cc1Br
InChIInChI=1S/C8H5BrF3NOS/c9-6-3-5(15-8(10,11)12)1-2-7(6)13-4-14/h1-4H,(H,13,14)
InChIKeyAFMXQXXJTZJMOO-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide?
The IUPAC name of N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide (CID 146509175) is N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide.
What is the SMILES notation for N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide?
The canonical SMILES for N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide is O=CNc1ccc(SC(F)(F)F)cc1Br.
What is the InChIKey of N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide?
The InChIKey is AFMXQXXJTZJMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NOS/c9-6-3-5(15-8(10,11)12)1-2-7(6)13-4-14/h1-4H,(H,13,14).
What are the key properties of N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide?
N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide has a molecular weight of 300.10 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(trifluoromethylsulfanyl)phenyl]formamide is sourced from PubChem (CID 146509175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).